Geometry & MOs

Info

ID:	77725
PubChem CID:	49658758
Reduced:	FOSN5H16C19 (1)
Stoich.:	ABCD5E16F19 (1)
Weight, g/mol:	443.081888
ΔH_f, kcal/mol:	52.24
Dipole, Da:	5.39
IP(EA), eV:	-8.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2,4-dimethoxyphenyl)-5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=C(N=N2)C3=NC(=CS3)C4=CC(=CC=C4)OC)N)F

DOS

IR

Vibrations